Orion - The Evolution of Molecular Design

Orion

The Evolution of Molecular Design

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  • Lead Discovery

    LEAD DISCOVERY

    LEAD DISCOVERY

    Searching large numbers of molecules to find the small fraction with biological activity is a challenging problem. Want to search millions of molecules in fractions of a minute using 3D similarity? 

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  • LEAD OPTIMIZATION

    LEAD OPTIMIZATION

    LEAD OPTIMIZATION

    Generation of new ideas for structural modification of a lead molecule can be straightforward; prioritizing those ideas is difficult. Want to find new directions for your discovery project? 

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  • CUSTOMIZATION

    CUSTOMIZATION

    CUSTOMIZATION

    OpenEye offers a custom coding service to help customers develop and deploy solutions specific to their problems and their workflows. Want to see if our custom coding service could help your endeavor?  

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  • CHEMINFORMATICS

    CHEMINFORMATICS

    CHEMINFORMATICS

    OpenEye offers an extensive set of cutting-edge cheminformatics toolkits across a wide range of platforms and languages. Want to integrate your disparate chemical information and turn it into focused knowledge?  

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  • CRYSTALLOGRAPHY

    CRYSTALLOGRAPHY

    CRYSTALLOGRAPHY

    AFITT is the only software available to offer a fully automatic ligand fitting process that optimizes ligand fit to density while minimizing conformational strain. Want to obtain significantly better ligand conformations within refined structures? 

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  • DATABASES

    DATABASES

    DATABASES

    OpenEye offers 3 types of databases: pre-computed OMEGA libraries (eMolecules & Namiki), the Iridium Database and pKa Data. Want to see how these data can enhance your results?

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    JUPYTER NOTEBOOKS

    JUPYTER NOTEBOOKS

    Jupyter Notebooks provide a useful context for examples using OpenEye Toolkits. Want to see how to use the toolkits, find examples of integrating OpenEye with other scientific packages, or download sample solutions of common problems in computational chemistry?

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  • DATABASE PREPARATION

    DATABASE PREPARATION

    DATABASE PREPARATION

    A properly prepared database is the first step towards a successful virtual screening campaign. Want to find out how to remove undesirable compounds, handle tautomers and charges, and generate conformers once for rapid downstream applications?

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  • Featured News

    CUP XVII
    March 6-8, 2017

    Our next CUP event will be held at The Inn and Spa at Loretto in Santa Fe. For more information about the event click below. 

    CUP XVII
  • Featured News

    JCUP VIII
    May 25-26, 2017

    Our next JCUP event will be held in Tokyo, Japan. For more information about the event click below.

    JCUP VIII
  • Featured News

    miniCUP Events - 2016
    Sept. 27 - Oct. 27, 2016

    OpenEye is hosting six miniCUP events at locations on the US East and West Coasts, as well as in Europe. For more information on each event, please click on the link below.

    miniCUP Events - 2016